4-methylthiophen-2-amine hydrochloride

• ChemBase ID: 289456
• Molecular Formular: C5H8ClNS
• Molecular Mass: 149.64172
• Monoisotopic Mass: 149.00659794
• SMILES: Nc1cc(C)cs1.Cl
• Canonical SMILES: Cc1csc(c1)N.Cl
• InChI: InChI=1S/C5H7NS.ClH/c1-4-2-5(6)7-3-4;/h2-3H,6H2,1H3;1H
• InChIKey: ZIWUFHDGZTZUEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylthiophen-2-amine hydrochloride
• IUPAC Traditional name: 4-methylthiophen-2-amine hydrochloride
• Synonyms: 4-Methylthiophen-2-amine hydrochloride

Database IDs

• CAS Number: 930299-88-0
• PubChem SID: 180674987
• PubChem CID: 57345818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6041791
• LogD (pH = 7.4): 1.6041791
• Log P: 1.6041791
• Molar Refractivity: 32.0653 cm^3
• Polarizability: 11.870009 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%